III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -164.3410685 |
correlated core | -164.3512480 |
difference | -0.0101795 |
Energy (hartrees) | |
---|---|
frozen core | -164.3410685 |
correlated core | -164.3512480 |
difference | -0.0101795 |
Energy (hartrees) | |
---|---|
frozen core | -164.3410685 |
correlated core | -164.3512480 |
difference | -0.0101795 |
Energy (hartrees) | |
---|---|
frozen core | -164.3410685 |
correlated core | -164.3512480 |
difference | -0.0101795 |
Energy (hartrees) | |
---|---|
frozen core | -164.3410683 |
correlated core | -164.3512480 |
difference | -0.0101796 |
Energy (hartrees) | |
---|---|
frozen core | -164.3410683 |
correlated core | -164.3512480 |
difference | -0.0101796 |